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77273-74-6 | 3-(Cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-6-methyl-3-benzazocin
CAS No: 77273-74-6 Catalog No: AG0054SC MDL No:
Product Description
Catalog Number:
AG0054SC
Chemical Name:
3-(Cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-6-methyl-3-benzazocin
CAS Number:
77273-74-6
Molecular Formula:
C16H23N
Molecular Weight:
229.3605
IUPAC Name:
3-(cyclopropylmethyl)-6-methyl-2,4,5,6-tetrahydro-1H-3-benzazocin-8-ol
InChI:
InChI=1S/C16H23NO/c1-12-6-8-17(11-13-2-3-13)9-7-14-4-5-15(18)10-16(12)14/h4-5,10,12-13,18H,2-3,6-9,11H2,1H3
InChI Key:
KXELLSSTRSGFIW-UHFFFAOYSA-N
SMILES:
CC1CCN(CCc2c1cccc2)CC1CC1
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.178g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.366g/mol
Monoisotopic Mass:
245.178g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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